Methyl 2-(4-bromobenzenesulfonamido)acetate
TL;DR: Methyl 2-(4-bromobenzenesulfonamido)acetate (CAS 349405-06-7) is a chemical compound with molecular formula C9H10BrNO4S and molecular weight 306.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
Also Known As: methyl 2-[(4-bromobenzene)sulfonamido]acetate, methyl 2-(4-bromobenzenesulfonamido)acetate, methyl 2-[(4-bromophenyl)sulfonylamino]acetate, methyl (4-bromobenzenesulfonamido)acetate, BAS 00782946
| Molecular Formula | C9H10BrNO4S |
|---|---|
| Molecular Weight | 306.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.9514 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 349405-06-7 |
|---|---|
| SMILES | COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Br |
| InChIKey | RKMMKFPYCKUIAN-UHFFFAOYSA-N |
Product Overview
Methyl 2-(4-bromobenzenesulfonamido)acetate (CAS 349405-06-7), with molecular formula C9H10BrNO4S and molecular weight 306.95 g/mol. IUPAC: methyl 2-[(4-bromophenyl)sulfonylamino]acetate.
Chemical Property Profile of Methyl 2-(4-bromobenzenesulfonamido)acetate
Property Insights of Methyl 2-(4-bromobenzenesulfonamido)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-bromobenzenesulfonamido)acetate. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-bromobenzenesulfonamido)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-bromobenzenesulfonamido)acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-bromobenzenesulfonamido)acetate?
The CAS number of Methyl 2-(4-bromobenzenesulfonamido)acetate is 349405-06-7.
What is the molecular formula of Methyl 2-(4-bromobenzenesulfonamido)acetate?
The molecular formula of Methyl 2-(4-bromobenzenesulfonamido)acetate is C9H10BrNO4S.
What is the molecular weight of Methyl 2-(4-bromobenzenesulfonamido)acetate?
The molecular weight of Methyl 2-(4-bromobenzenesulfonamido)acetate is 306.95 g/mol.
Where can I buy Methyl 2-(4-bromobenzenesulfonamido)acetate?
You can request a quote for Methyl 2-(4-bromobenzenesulfonamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-bromobenzenesulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-bromobenzenesulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.